CID 3052251

Urea, n'-(aminoiminomethyl)-n-(2-chloro-6-methylphenyl)-n-methyl-, monohydrochloride

Structural Information

Molecular Formula
C10H13ClN4O
SMILES
CC1=C(C(=CC=C1)Cl)N(C)C(=O)N=C(N)N
InChI
InChI=1S/C10H13ClN4O/c1-6-4-3-5-7(11)8(6)15(2)10(16)14-9(12)13/h3-5H,1-2H3,(H4,12,13,14,16)
InChIKey
SQEFTWHPVULNRN-UHFFFAOYSA-N
Compound name
1-(2-chloro-6-methylphenyl)-3-(diaminomethylidene)-1-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

240.07779 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.08507 155.7
[M+Na]+ 263.06701 162.7
[M-H]- 239.07051 161.5
[M+NH4]+ 258.11161 174.0
[M+K]+ 279.04095 160.6
[M+H-H2O]+ 223.07505 149.4
[M+HCOO]- 285.07599 178.8
[M+CH3COO]- 299.09164 205.3
[M+Na-2H]- 261.05246 157.4
[M]+ 240.07724 155.5
[M]- 240.07834 155.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe